1-[4-(4-chlorophenyl)sulfanylbutyl]-1,2,4-triazole

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-1,2,4-triazole Openeye Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-1,2,4-triazole CAS Name: 1-[4-[(4-chlorophenyl)thio]butyl]-1,2,4-triazole IUPAC Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-1,2,4-triazole Traditional Name: 1-[4-[(4-chlorophenyl)thio]butyl]-1,2,4-triazole Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCN2C=NC=N2)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCCN2C=NC=N2)Cl

InChI

InChI=1S/C12H14ClN3S/c13-11-3-5-12(6-4-11)17-8-2-1-7-16-10-14-9-15-16/h3-6,9-10H,1-2,7-8H2